CEP-1347

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Synonyms
Status
Molecule Category Free-form
UNII 200HA2LIMK

Structure

InChI Key SCMLRESZJCKCTC-KMYQRJGFSA-N
Smiles CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O
InChI
InChI=1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H33N3O5S2
Molecular Weight 615.78
AlogP 6.16
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 94.72
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 43.0

Pharmacology

Mechanism of Action Action Reference
Mitogen-activated protein kinase kinase kinase 10 inhibitor INHIBITOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase AMPK subfamily
- - - - 98
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase BRSK subfamily
- - - - 94
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK2 family
- - - - 84-87
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 39-209 - - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase LRRK family
- - - - 98-100
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- 2-72 - - -
Unclassified protein
- 114-114 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2-209 - - 84-100
Mus musculus
- - - - 45

Target Conservation

Protein: Mitogen-activated protein kinase kinase kinase 13
Description: Mitogen-activated protein kinase kinase kinase 13
Organism : Homo sapiens
O43283 ENSG00000073803
Protein: Mitogen-activated protein kinase kinase kinase 9
Description: Mitogen-activated protein kinase kinase kinase 9
Organism : Homo sapiens
P80192 ENSG00000006432
Protein: Mitogen-activated protein kinase kinase kinase 10
Description: Mitogen-activated protein kinase kinase kinase 10
Organism : Homo sapiens
Q02779 ENSG00000130758
Protein: Mitogen-activated protein kinase kinase kinase 12
Description: Mitogen-activated protein kinase kinase kinase 12
Organism : Homo sapiens
Q12852 ENSG00000139625
Protein: Mitogen-activated protein kinase kinase kinase 11
Description: Mitogen-activated protein kinase kinase kinase 11
Organism : Homo sapiens
Q16584 ENSG00000173327

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL290352
FDA SRS 200HA2LIMK
Guide to Pharmacology 8173
PubChem 9917013
SureChEMBL SCHEMBL12047710
ZINC ZINC000003928304
CONTENTS